Basic information
- CAS
68419-45-4- Standard SMILES
CCC(C)CCC(C)CCO- InChIKey
PMLNJABKXSSLQV-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 1-Octanol, 3,6-dimethyl-
- IUPAC
- 3,6-dimethyloctan-1-ol
Names & synonyms
68419-45-41-Octanol, 3,6-dimethyl-3,6-dimethyloctan-1-olSCHEMBL1658149DTXSID00988036PMLNJABKXSSLQV-UHFFFAOYSA-N
Database identifiers
- CAS
68419-45-4- PubChem CID
- 155147
- DTXSID
DTXSID00988036
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 80.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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